2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide

C23H24F3N5O3 — CID 166147422

About 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide

2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide (PubChem CID 166147422) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide
• PubChem CID: 166147422
• Molecular Formula: C23H24F3N5O3
• Molecular Weight: 475.47 g/mol
• Exact Mass: 475.18
• IUPAC Name: 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide
• SMILES: C[C@@H](Nc1nn(C)c(=O)c2cc(=O)n(C3CC3)cc12)c1cccc(C(F)(F)C(=O)N(C)C)c1F
• InChI: InChI=1S/C23H24F3N5O3/c1-12(14-6-5-7-17(19(14)24)23(25,26)22(34)29(2)3)27-20-16-11-31(13-8-9-13)18(32)10-15(16)21(33)30(4)28-20/h5-7,10-13H,8-9H2,1-4H3,(H,27,28)/t12-/m1/s1
• InChIKey: WPKGIXDBHZPHIL-GFCCVEGCSA-N
• XLogP: 2.92
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.47
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide?

The IUPAC name of 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide (CID 166147422) is 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide.

What is the SMILES notation for 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide?

The canonical SMILES for 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide is C[C@@H](Nc1nn(C)c(=O)c2cc(=O)n(C3CC3)cc12)c1cccc(C(F)(F)C(=O)N(C)C)c1F.

What is the InChIKey of 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide?

The InChIKey is WPKGIXDBHZPHIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-12(14-6-5-7-17(19(14)24)23(25,26)22(34)29(2)3)27-20-16-11-31(13-8-9-13)18(32)10-15(16)21(33)30(4)28-20/h5-7,10-13H,8-9H2,1-4H3,(H,27,28)/t12-/m1/s1.

What are the key properties of 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide?

2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide has a molecular weight of 475.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(1R)-1-[(6-cyclopropyl-2-methyl-1,7-dioxopyrido[3,4-d]pyridazin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoro-N,N-dimethylacetamide is sourced from PubChem (CID 166147422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).